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Zeitschrift für Kristallographie - New Crystal Structures

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Volume 240, Issue 1

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Frontmatter

January 3, 2025

Page range: i-vi

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New Crystal Structures
Open Access
Crystal structure of the co-crystal 2,4,6-triamino-1,3,5-triazine-1,3-dioxide — acetic acid (1/2) C₇H₁₄N₆O₆

October 29, 2024

Fei Wang, Cuilian Chen, Zhirong Suo

Page range: 1-2

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C 7 H 14 N 6 O 6 , monoclinic, C 2/ c (no. 15), a = 25.647(2) Å, b = 4.8865(4) Å, c = 21.585(2) Å, β = 111.500(6)°, V = 2516.8(4) Å 3 , Z = 8, R gt ( F ) = 0.0592, w R ref ( F 2 ) = 0.1631, T = 100 K.
Open Access
Crystal structure of the dinuclear mercury(II) complex bis(μ²-bromido)-dibromido-bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-ethyl-5-methyl-imidazol)-κ¹ N} dimercury(II), C₂₆H₃₀N₁₀Hg₂Br₄

November 26, 2024

Hai-Yan Yang, Hong-Yan Liu, Yao-Min Zhao

Page range: 3-5

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C 26 H 30 N 10 Hg 2 Br 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.8582(4) Å, b = 11.5968(5) Å, c = 17.4657(10) Å, α = 107.564(5)°, β = 92.283(4)°, γ = 97.388(4)°, V = 1690.47(15) Å 3 , Z = 2, R gt ( F ) = 0.0423, ωR ref ( F 2 ) = 0.1112, T = 293 K.
Open Access
Crystal structure of poly[hexaqua-pentakis(μ₄-2,2′-bipyridine-4,4′-dicarboxylato-κ⁴ O:O′:O″:O‴)-(μ₂-2,2′-bipyridine-4,4′-dicarboxylato-κ² O:O)tetraytterbium(III)] hydrate, C₃₆H₂₆N₆O₁₆Yb₂

October 31, 2024

Zheng Cheng, Xiao-Yu Zhang, Xu Liu, Xiao-rui Yang

Page range: 7-9

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C 36 H 26 N 6 O 16 Yb 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.3387(3) Å, b = 12.1820(4) Å, c = 14.1433(4) Å, α = 95.090(2)°, β = 103.517(3)°, γ = 101.762(2)°, V = 1840.41(10) Å 3 , Z = 2, R gt ( F ) = 0.0282, wR ref ( F 2 ) = 0.0576, T = 150 K.
Open Access
Hydrothermal synthesis and crystal structure of catena-poly[(1,10-phenanthroline-κ ² N,N′)-bis(μ ₂-nitroisophthalato-κ ³ O,O′:O″)nickel(II)], C₂₀H₁₃NiN₃O₇

November 28, 2024

Bi Wen-Jie, Xie Dong, Hu Xing-ming, Chen Hu, Bian He-dong

Page range: 11-13

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C 20 H 13 NiN 3 O 7 ; triclinic, P 1̄ (no. 2), a = 8.329(7) Å, b = 8.726(8) Å, c = 13.300(12) Å, α = 85.948(14)°, β = 75.509(14)°, γ = 72.258(13)°, V = 891.3(13) Å 3 , Z = 2, R gt ( F ) = 0.0373, wR ref ( F 2 ) = 0.1007, T = 296(2) K.
Open Access
Crystal structure of 7²,7³,7⁵,7⁶-tetrafluoro-2⁵,4⁴-dimethyl-3¹,3³,3⁶,3⁸-tetraoxo-3¹,3²,3³,3⁶,3⁷,3⁸-hexahydro-3(2,7)-benzo[lmn][3,8]phenanthrolina-1,5(4,1)-dipyridin-1-iuma-2,4(1,2),7(1,4)-tribenzenacyclooctaphane-1¹,5¹-diium hexafluoridophosphate, [C₄₆H₂₈F₄N₄O₄][PF₆]₂, a dicationic cyclophane

October 31, 2024

Xiuteng Wang, Wei Wei

Page range: 15-17

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C 46 H 28 F 16 N 4 O 4 P 2 , monoclinic, P 2 1 / n (no. 14), a = 9.3041(2) Å, b = 22.4679(5) Å, c = 19.9446(3) Å, β = 98.154(2)°, V = 4,127.14(14) Å 3 , Z = 4, R gt ( F ) = 0.0478, wR ref ( F 2 ) = 0.1411, T = 173(2) K.
Open Access
Crystal structure of (E)-2-(4-(1H-imidazol-1-yl)benzylidene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C₂₀H₁₅FN₂O

October 29, 2024

Yu Chen, Ji-Peng Wang, Mei-Dan Wang, Wen-Xiao Yu, Yao-Tian Cui, Hao-Xue Gao, Gui-Ge Hou, Yan Ren

Page range: 19-21

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C 20 H 15 FN 2 O, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.0724(1) Å, b = 9.6473(1) Å, c = 9.6635(1) Å, α = 80.903(1)°, β = 82.325(1)°, γ = 84.147(1)°, V = 733.922(14) Å 3 , Z = 2, R gt ( F ) = 0.0366, wR ref ( F 2 ) = 0.0934, T = 293 K.
Open Access
The salt crystal structure of etoricoxib hydrochloride, C₁₈H₁₆Cl₂N₂O₂S

November 26, 2024

Yu-Heng Ma, Wei-Pu Hong, Yan-Ling Qian, Zhen-Wei Tao, Shi-Qi Hou, Jia-Le Guo, Wen-Jing Ma, Yi-Hong Wang

Page range: 23-24

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C 18 H 16 Cl 2 N 2 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 10.915(2) Å, b = 11.801(2) Å, c = 14.059(3) Å, β = 90.10(3)°, V = 1810.9(6) Å 3 , Z = 4, R gt ( F ) = 0.0585, wR ref ( F 2 ) = 0.1532, T = 293(2) K.
Open Access
The structure of t-butyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate, C₃₇H₄₃FN₂O₅

October 30, 2024

Wei-Jie Sun, Zhi-Chao Wang, Cheng-Jun Jiang

Page range: 25-27

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C 37 H 43 FN 2 O 5 , monoclinic, P 2 1 (no. 4), a = 13.8818(6) Å, b = 8.7373(4) Å, c = 15.6295(7) Å, β = 113.356(2)°, V = 1740.36(14) Å 3 , Z = 2, R gt ( F ) = 0.0527, wR ref ( F 2 ) = 0.1346, T = 170 K.
Open Access
The crystal structure of (μ₄-oxo)-tri(μ₄-2,2′-bipyridine-6,6′-bis(olato)-κ⁵ O,O′:N:N′:O″)tetrazinc(II) – methylformamide (1/1), C₃₃H₂₅N₇O₈Zn₄

November 7, 2024

Zhen-Zhen Shi, Shu-Yang Chen, Jun-Ling Chen, Shu-Zhou Yun, Xing-Fang Fu

Page range: 29-31

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C 33 H 25 N 7 O 8 Zn 4 , triclinic, P 1̄ (no. 2), a = 12.1524(7) Å, b = 12.2035(7) Å, c = 14.2730(7) Å, α = 78.669(4)°, β = 66.615(5)°, γ = 62.482(6)°, V = 1722.83(19) Å 3 , Z = 2, R gt ( F ) = 0.0405, wR ref ( F 2 ) = 0.1128, T = 293(2) K.
Open Access
The co-crystal structure of 4-chlorobenzophenone–salicylhydrazide(1/1), C₂₀H₁₇ClN₂O₃

October 29, 2024

Ji Wang, Wenhui Wu, Wencai Zhang, Xiying Yang, Jie Qiao

Page range: 33-35

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C 20 H 17 ClN 2 O 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.2486(3) Å, b = 7.4746(4) Å, c = 19.0245(10) Å, α = 89.341(2)°, β = 85.998(2)°, γ = 83.651(2)°, V = 880.94(8) Å 3 , Z = 2, R gt ( F ) = 0.0351, wR ref ( F 2 ) = 0.0970, T = 289 K.
Open Access
Crystal structure of 9-fluoro-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine, C₁₈H₁₅FN₄O

October 29, 2024

Xing-Wei Li, Yu-Hao Miao, Yue-Xia Ding, Gui-Ge Hou

Page range: 37-39

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C 18 H 15 FN 4 O, monoclinic, P 2 1 / c (no. 14), a = 18.0993(7) Å, b = 6.8868(3) Å, c = 24.8450(12) Å, β = 90.515(4)°, V = 3,096.7(2) Å 3 , Z = 8, R gt ( F ) = 0.0417, wR ref ( F 2 ) = 0.1040, T = 293 K.
Open Access
The crystal structure of the co-crystal composed of benzhydrazide and 5-aminoisophthalic acid, C₈H₇NO₄⋅C₇H₈N₂O

October 29, 2024

Jeraldine Maire Bourletidis How, Matthew C. Scheepers, Andreas Lemmerer, Mark G. Smith

Page range: 41-43

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C 8 H 7 NO 4 ⋅C 7 H 8 N 2 O, monoclinic, P 2 1 / n (no. 14), a = 18.3690(6) Å, b = 3.8010(1) Å, c = 21.5232(7) Å, β = 108.867(1) ∘ , V = 1422.02(8) Å 3 , Z = 4, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0959, T = 173 K.
Open Access
The cocrystal structure of praziquantel-hesperetin (1/1), C₃₅H₃₈N₂O₈

November 26, 2024

Wei Han, Mei Li, Xiang Geng, Guoshun Zhang

Page range: 45-48

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C 35 H 38 N 2 O 8 , monoclinic, P 2 1 (no. 4), a = 14.0502(3) Å, b = 5.93007(14) Å, c = 18.3417(4) Å, β = 101.327(2)°, V = 1498.45(6) Å 3 , Z = 2, R gt ( F ) = 0.0443, w R ref ( F 2 ) = 0.1082, T = 100(2) K.
Open Access
Crystal structure of new barium manganese fluorides dihydrates, Ba₁₀Mn₂F₂₅·2H₂O

November 27, 2024

Sun Woo Kim, Hong Young Chang

Page range: 49-50

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Ba 10 Mn 2 F 25 ·2H 2 O, cubic, Fd 3̄ m (no. 227), a = 17.487(2) Å, V = 5347.7(18) Å 3 , Z = 8, R gt ( F ) = 0.0236, wR ref ( F 2 ) = 0.0552, T = 296(2) K.
Open Access
The crystal structure of bis[μ₂-(3-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)propanoate-κ²O:N)-bis(2,2′-bipyridine-κ² N, N′)dicopper(II)]dinitrate, C₄₂H₃₆Cu₂N₁₂O₁₀

October 30, 2024

Zhiwei Tang, Ruijuan Zheng, Wei Guo, Jiangcong Zhou

Page range: 51-53

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C 42 H 36 Cu 2 N 12 O 10 , monoclinic, P 2 1 / n (no. 14), a = 11.0161(4) Å, b = 11.8753(5) Å, c = 15.6055(5) Å, β = 95.197(3)°, V = 2033.11(13) Å 3 , Z = 2, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.0935, T = 293 K.
Open Access
Crystal structure of (3,6-di(2-pyridyl)-4-phenylaminopyridazine-κ²N,N′)-bis(2-(p-toluene)pyridinyl-κ²C,N)-iridium(III) hexafluorophosphate –dichloromethane (1/1), C₄₅H₃₇Cl₂F₆IrN₇P

October 29, 2024

Jun Qian, Liang Ma, Yida Wang

Page range: 55-58

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C 45 H 37 Cl 2 F 6 IrN 7 P, monoclinic, P 2 1 / c (no. 14), a = 23.518(5) Å, b = 11.702(2) Å, c = 15.426(3) Å, β = 101.44(3)°, V = 4161.0(15) Å 3 , Z = 4, R gt ( F ) = 0.0474, wR ref ( F 2 ) = 0.0924, T = 293 K.
Open Access
The crystal structure of 2-(2′-carboxybenzyl)benzoic acid, C₁₅H₁₂O₅

October 31, 2024

Yan Xi-Hai, Zhao Bo, Fan Peng-Cheng, Tai Xi-Shi

Page range: 59-61

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C 15 H 12 O 5 , monoclinic, P 2 1 / c (no. 14), a = 16.1399(4) Å, b = 19.2950(5) Å, c = 8.2567(2) Å, β = 97.078(1)°, V = 2551.70(11) Å 3 , Z = 8, R gt ( F ) = 0.0440, wR ref ( F 2 ) = 0.1326, T = 299.15 K.
Open Access
The crystal structure of dichlorido-[(E)-N′,N″-bis((2E,3E)-3-(hydroxyimino)butan-2-ylidene)-2-((E)-3-(hydroxyimino)butan-2-ylidene)hydrazine-1-carbohydrazonhydrazide-κ ⁴ N ⁴]cobalt(II), C₁₃H₂₂N₉O₃Cl₂Co

October 29, 2024

Zhi-Wei Zhai, Shuang-Hua Yang

Page range: 63-65

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C 13 H 22 N 9 O 3 Cl 2 Co, monoclinic, P 2 1 / n (no. 14), a = 7.7939(4) Å, b = 23.1095(11) Å, c = 11.7358(7) Å, β = 108.179(6)°, V = 2008.3 (2) Å 3 , Z = 4, R gt ( F ) = 0.0485, w R ref ( F 2 ) = 0.1002, T = 293(2) K.
Open Access
Crystal structure of (−)-flavesine H, C₁₅H₂₂N₂O₂

October 30, 2024

Kai Peng, Ding Luo, Guang-cun Wang

Page range: 67-69

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C 15 H 22 N 2 O 2 , monoclinic, P 2 1 (no. 4), a = 8.4853(2) Å, b = 19.5759(4) Å, c = 9.0640(2) Å, β = 106.845(2)°, V = 1441.00(6) Å 3 , Z = 4, R gt ( F ) = 0.00374, w R ref ( F 2 ) = 0.0991, T = 150 K.
Open Access
Crystal structure of 3-methoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₂H₂₂O₄

October 30, 2024

Quan-Le Sun, Da-Zhuan Lin, De-Dong Xue, Ying Lin

Page range: 71-72

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C 22 H 22 O 4 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.861(2) Å, b = 8.140(2) Å, c = 37.654(8) Å, V = 1796.4(8) Å 3 , Z = 4, R gt ( F ) = 0.0310, w R ref ( F 2 ) = 0.0812, T = 100(2) K.
Open Access
Crystal structure of dicarbonyl(2-oxopyridin-1(2H)-olato-κ ² O,O)iridium(I), C₇H₄IrNO₄

October 29, 2024

Mohammed A. Elmakki, Dumisani V. Kama, Johan A. Venter

Page range: 73-75

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C 7 H 4 IrNO 4 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 3.5665(2) Å, b = 10.8307(5) Å, c = 10.8865(5) Å, α = 72.9610(10)°, β = 83.631(2)°, γ = 89.189(2)°, V = 399.51(3) Å 3 , Z = 2, R gt ( F ) = 0.0484, wR ref ( F 2 ) = 0.0201, T = 100 K.
Open Access
The crystal structure of 4-(3-(triphenylphosphonio)propyl)piperazin-1-ium dibromide trihydrate, C₂₅H₃₇Br₂N₂O₃P

October 29, 2024

Xibei Jia, Xiaomei Li

Page range: 77-79

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C 25 H 37 Br 2 N 2 O 3 P, monoclinic, P 2 1 / n (no. 14), a = 9.827(5) Å, b = 14.441(8) Å, c = 10.175(6) Å, β = 103.573(16)°, V = 1403.6(13) Å 3 , Z = 2, R gt ( F ) = 0.0530, wR ref ( F 2 ) = 0.1105, T = 296 K.
Open Access
The crystal structure of ethyl 5,6-dihydroxybenzofuran-3-carboxylate, C₁₁H₁₀O₅

November 6, 2024

Ying Zhou, Yan Li, Zengshuo Xiao, Hao Wang

Page range: 81-82

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C 11 H 10 O 5 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.9847(3) Å, b = 10.5228(3) Å, c = 11.2032(4) Å, α = 106.484(3)°, β = 93.420(3)°, γ = 103.646(3)°, V = 977.84(6) Å 3 , Z = 4, R gt ( F ) = 0.0441, wR ref ( F 2 ) = 0.1298, T = 293 K.
Open Access
Crystal structure of 14-(R)-(2′-cyano-phenoxy)-3,19-diacetyl andrographolide, C₃₁H₃₇NO₇

December 23, 2024

Zhuyun Liu, Pengfei Ding, Shanshan Yang, Donghua Zhai, Yunying Sha, Ruifang Zhang, Lizhong Wang

Page range: 83-85

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C 31 H 37 NO 7 , monoclinic, P 2 1 (no. 4), a = 8.1269(1) Å, b = 11.0527(1) Å, c = 16.3586(2) Å, β = 97.973(1)°, V = 1455.19(3) Å 3 , Z = 2, R gt ( F ) = 0.0467, wR ref ( F 2 ) = 0.1308, T = 293(2) K.
Open Access
The twinned crystal structure of 10-(4-methyl benzoate)-2,8-diethyl-5,5-difluoro-1,3,7,9-tetramethyl-5H-di-pyrrolo[1,2-c:2′,1′-f] [1,3,2]diazaborinin-4-ium-5-uide, C₂₅H₂₉BF₂N₂O₂

November 27, 2024

Rabia Usman, May Nasser Bin-Jumah, Abeer A. Altamimi, Kholoud A. Baeshen, Chao Feng, Mohsen Mohammed Al-Qhatani, Hanan A. Henidi

Page range: 87-89

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C 25 H 29 BF 2 N 2 O 2 , triclinic, P 1 $P1$ (no. 1), a = 7.5649(4) Å, b = 7.6172(5) Å, c = 10.4163(6) Å, α = 73.672(5)°, β = 78.776(5)°, γ = 82.641(5)°, V = 563.28(6) Å 3 , Z = 1, R gt ( F ) = 0.0390, wR ref ( F 2 ) = 0.1081, T = 150 K.
Open Access
The crystal structure of (9H-thioxanthen-9- ylidene)hydrazine monohydrate, C₁₃H₁₁N₂SO_0.5

October 31, 2024

Qi Zhou, Li-Wen Zhai, Jing-Jing Zuo, Zhong-Yan Li, Lin Yuan

Page range: 91-92

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C 13 H 10 N 2 S, orthorhombic, Pccn (no. 56), a = 30.55(2) Å, b = 7.760(6) Å, c = 9.622(7) Å, V = 2,281(3) Å 3 , Z = 4, R gt ( F ) = 0.0393, wR ref ( F 2 ) = 0.1033, T = 296(2) K.
Open Access
The crystal structure of pyridinium diaqua-{1,2-phenylenebis((carboxylatocarbonyl)amido-κ⁴ N,N′,O,O′)manganese(III), C₁₅H₁₄MnN₃O₈

November 28, 2024

Zhen Cao, Wenhui Yan

Page range: 93-95

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C 15 H 14 MnN 3 O 8 , monoclinic, P 2 1 / m (no. 11), a = 7.3212(3) Å, b = 11.9120(4) Å, c = 9.3666(3) Å, β = 94.345(3) ∘ , V = 814.51(5) Å 3 , Z = 2, R gt ( F ) = 0.0242, wR ref ( F 2 ) = 0.0685, T = 293 K.
Open Access
Crystal structure of the hydrogen storage active high entropy phase Tb_0.82Sm_0.18Ni_0.83Co_0.17Mg

November 11, 2024

Nazar Pavlyuk, Vasyl Kordan, Grygoriy Dmytriv, Volodymyr Pavlyuk

Page range: 97-99

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Tb 0.82 Sm 0.18 Ni 0.83 Co 0.17 Mg, orthorhombic, Cmcm (no. 63), a = 3.6707(4) Å, b = 17.723(1) Å, c = 3.9863(4) Å, V = 259.33 (4) Å 3 , Z = 4, R gt ( F ) = 0.0334, wR ref ( F 2 ) = 0.0861, T = 293 (2) K.
Open Access
Crystal structure of diaqua-bis[5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylato-κ ² N,O)]manganese(II), C₁₄H₁₆MnN₁₀O₆

November 14, 2024

Jing-Jing Guo, Xin-Yue Zhang, Hou-Lu Deng, Zi-Yue Zhu, Jian Yang, Chao Feng

Page range: 101-103

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C 14 H 16 MnN 10 O 6 , triclinic, P 1̄ (no. 2), a = 6.7549(7) Å, b = 7.1615 (7) Å, c = 11.2405(10) Å, α = 77.624(8)°, β = 73.524(9)°, γ = 63.834 (10)°, V = 465.48 (9) Å 3 , Z = 1, R gt ( F ) = 0.0339, wR ref ( F 2 ) = 0.0860, T = 293 K.
Open Access
Crystal structures of diiodido-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one-cadmium(II)

November 14, 2024

Honglin Chen, Ying Xiong

Page range: 105-106

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C 19 H 13 CdI 2 N 5 O, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 9.0045(7) Å, b = 9.6113(8) Å, c = 13.1285(12) Å, α = 80.395(3)°, β = 79.861(3)°, γ = 80.512(3)°, V = 1091.99(16) Å 3 , Z = 2, R gt ( F ) = 0.0544, wR ref ( F 2 ) = 0.1446, T = 273 K.
Open Access
Synthesis and crystal structure of methyl 4-(2-ethoxy-2-oxoethoxy)-3,5-dimethoxybenzoate, C₁₄H₁₈O₇

November 14, 2024

Xiao-ming Shang, Ying Luo, Nuo Chen, Zong-de Wang, Hai Luo

Page range: 107-109

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C 14 H 18 O 7 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.3538(6) Å, b = 12.7630(19) Å, c = 26.493(4) Å, V = 1,472.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0414, wR ref ( F 2 ) = 0.1043, T = 296(2) K.
Open Access
Crystal structure of isoxazolo[4,5-b]pyridin-3-amine, C₆H₅N₃O

December 9, 2024

Litong Wang, Jinfang Wang, Fanchao Meng, Xiaoxin Zheng, Quanxiang Han

Page range: 111-112

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C 6 H 5 N 3 O, monoclinic, P 2 1 / n (no. 14), a = 5.2140(2) Å, b = 6.8527(2) Å, c = 16.3538(5) Å, β = 97.335(3)°, V = 579.54(3) Å 3 , Z = 4, R gt ( F ) = 0.0336, wR ref ( F 2 ) = 0.0881, T = 293(2) K.
Open Access
Crystal structure of 4-chloro-1-isobutyl-1H-imidazo, C₁₄H₁₄ClN₃

December 9, 2024

Fanchao Meng, Litong Wang, Quanxiang Han, Jinfang Wang, Xiaoxin Zheng

Page range: 113-115

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C 14 H 14 ClN 3 , monoclinic, P 2 1 / n (no. 14), a = 16.8486(5) Å, b = 8.1171(2) Å, c = 19.9901(7) Å, β = 113.906(4)°, V = 1499.35(15) Å 3 , Z = 8, R gt ( F ) = 0.0466, wR ref ( F 2 ) = 0.1206, T = 293(2) K.
Open Access
The crystal structure of 1,1,1,2,2,2-hexakis(2-methyl-2-phenylpropyl)distannane,C₆₀H₇₈Sn₂

November 14, 2024

Yi Shen

Page range: 117-118

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C 60 H 78 Sn 2 , cubic, Pa 3̄ (no. 206), a = 17.621(2) Å, V = 5,472(2) Å 3 , Z = 4, R gt ( F ) = 0.0214, wR ref ( F 2 ) = 0.0600, T = 296 (2) K.
Open Access
The crystal structure of (2,7-dimethoxynaphthalene-1,8-diyl)bis((3-nitrophenyl)methanone), C₂₆H₁₈N₂O₈

November 26, 2024

Kun Li, Hiroaki Iitsuka, Shinji Ohisa, Takahiro Nishijima, Keiichi Noguchi, Noriyuki Yonezawa, Akiko Okamoto

Page range: 119-121

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C 26 H 18 N 2 O 8 , triclinic, P 1̄ (no. 2), a = 8.41284(15) Å, b = 10.9410(2) Å, c = 12.9659(2) Å, α = 114.567(1)°, β = 97.779(1)°, γ = 91.504(1)°, V = 1070.90(3) Å 3 , Z = 2, R gt ( F ) = 0.0382, wR ref ( F 2 ) = 0.1083, T = 193 K.
Open Access
Crystal structure of diaqua-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ ¹ N)zinc(II) dinitrate dihydrate, C₆₀H₇₆Cl₈N₁₄O₁₄Zn

November 26, 2024

Jie Li, Mengying Qiu, Haiwei Han, Biao Yan, Hongya Li

Page range: 123-125

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C 60 H 76 Cl 8 N 14 O 14 Zn, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.758(1) Å, b = 15.376(2) Å, c = 16.518(2) Å, α = 100.946(2)°, β = 97.977(2)°, γ = 99.581(2)°, V = 1877.8(4) Å 3 , Z = 1, R gt ( F ) = 0.0456, w R ref ( F 2 ) = 0.1368, T = 296(2) K.
Open Access
The crystal structure of diphenyl bis(2-((diphenoxyphosphoryl)amino)ethyl)phosphoramidate monohydrate C₄₀H₄₂N₃O₁₀P₃

December 9, 2024

Chao-Jun Du, Bin Cai, Dan-Xia Li

Page range: 127-129

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C 40 H 42 N 3 O 10 P 3 , monoclinic, P 2 1 (no. 4), a = 9.1649(2) Å, b = 17.1144(3) Å, c = 13.3495(3) Å, β = 109.548(2)°, V = 1973.20(7) Å 3 , Z = 2, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1505, T = 99.99(10) K.
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Crystal structure of 4,4′-bis(dibromomethyl)-1,1′-biphenyl, C₁₄H₁₀Br₄

November 19, 2024

Kai-Long Zhong, Yue Zhou, Tian-Yu Zhang, Chao-Bo Yang

Page range: 131-132

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C 14 H 10 Br 4 , tetragonal, P 4 3 2 1 2 (no. 96), a = 6.8288(8) Å, c = 31.988(6) Å, V = 1491.7(5) Å 3 , Z = 4, R gt ( F ) = 0.0540, w R ref ( F 2 ) = 0.1479, T = 193 K.
Open Access
Crystal structure of CaPtZn

November 19, 2024

Jasper Arne Baldauf, Rainer Pöttgen

Page range: 133-134

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CaPtZn, orthorhombic, Pnma (no. 62), a = 7.1072(3) Å, b = 4.3428(2) Å, c = 7.7123(3) Å, V = 238.04(2) Å 3 , Z = 4, R gt ( F ) = 0.0195, w R ref ( F 2 ) = 0.0476, T = 293 K.
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Crystal structure of 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid, C₇H₃ClF₃NO₂

November 14, 2024

Xiaoru Pan, Xiang-Yan Kong

Page range: 135-137

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C 7 H 3 ClF 3 NO 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.8837(5) Å, b = 14.1634(14) Å, c = 15.3120(15) Å, α = 92.667(5)°, β = 100.364(5)°, γ = 99.475(5)°, V = 1,234.2(2) Å 3 , Z = 6, R gt ( F ) = 0.0458, wR ref ( F 2 ) = 0.1012, T = 298 K.
Open Access
The crystal structure of (3′-(2-bromophenyl)-2-phenyl-[2,2′-bioxiran]-3-yl)(phenyl)methanone, C₉₂H₆₈O₁₂Br₄

December 23, 2024

Chengjuan Li, Yingjie Li, Aoqi Wang, Shiqi Xi, Yalin Zhang

Page range: 139-141

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C 92 H 68 O 12 Br 4 , monoclinic, P 2 1 / c (no. 14), a = 12.3604(11) Å, b = 9.8658(9) Å, c = 15.2010(13) Å, β = 93.773(2) ∘ , V = 1849.7(3) Å 3 , Z = 4, R gt ( F ) = 0.0697, wR ref ( F 2 ) = 0.1790, T = 298.15 K.
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Crystal structure of ethyl 4-(4-benzylpiperazin-1-yl)benzoate, C₂₀H₂₄N₂O₂

November 26, 2024

Xue Zeng, Yuanjiao Feng, Wenwu Zhong, Yuanfang Hou

Page range: 143-145

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C 20 H 24 N 2 O 2 , monoclinic, P 2 1 (no. 4), a = 8.0021(9) Å, b = 5.9588(7) Å, c = 18.7274(19) Å, β = 93.546(7)°, V = 891.27(17) Å 3 , Z = 2, R gt ( F ) = 0.0408, wR ref ( F 2 ) = 0.1208, T = 300 K.
Open Access
The crystal structure of bis(selenocyanato-κ¹ N)-bis(methanol)-bis((1E,2E)-1,2-bis (1-(pyridin-4-yl)ethylidene)-hydrazine)iron(II) methanol solvate, C₃₄H₄₄FeN₁₀O₄Se₂

December 9, 2024

Yue Li, Liantao Hao, Shibing Guo, Qing-Guo Meng

Page range: 147-149

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C 34 H 44 FeN 10 O 4 Se 2 , monoclinic, C 2/ c (no. 15), a = 26.6523(15) Å, b = 7.6259(3) Å, c = 21.3645(11) Å, β = 117.888(7)°, V = 3838.0(4) Å 3 , Z = 4, R gt ( F ) = 0.0336, wR ref ( F 2 ) = 0.0748, T = 293 K.
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Crystal structure of (E)-1-(5-bromo-2-hydroxyphenyl)-3-(5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one, C₂₆H₂₁BrN₂O₄

November 27, 2024

Soon Young Shin, Ha-Jin Lee, Dongsoo Koh

Page range: 151-153

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C 26 H 21 BrN 2 O 4 , triclinic, P 1̄ (no. 2), a = 9.061(3) Å, b = 11.640(3) Å, c = 12.751(3) Å, α = 65.985(7)°, β = 87.683(8)°, γ = 72.332(12)°, V = 1165.1(5) Å 3 , Z = 2, R gt ( F ) = 0.0351, wR ref ( F 2 ) = 0.0873, T = 296(2) K.
Open Access
The crystal structure of methyl 4-(4-(methylsulfonyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C₁₉H₂₁NO₅S

November 27, 2024

Yaoyao Li, Lai Su, Tianqin Wang, Le Zhang

Page range: 155-157

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C 19 H 21 NO 5 S, triclinic, P 1̄ (no. 2), a = 8.428(2) Å, b = 10.638(3) Å, c = 11.177(3) Å, α = 63.125(4) ∘ , β = 77.819(4) ∘ , γ = 79.845(4) ∘ , V = 869.9(4) Å 3 , Z = 2, R gt (F) = 0.0472, wR ref (F 2 ) = 0.1379, T = 296(2) K.
Open Access
Crystal structure of 1′,3′-dihydro-2,2′-spirobi[indene]-1,3-dione, C₁₇H₁₂O₂

November 27, 2024

Lanhua Wang, Qi Liu

Page range: 159-160

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C 17 H 12 O 2 , monoclinic, P 2 1 / c (no. 14), a = 11.0333(13) Å, b = 15.7993(19) Å, c = 7.0619(9) Å,  β = 92.302(2) ∘ , V = 1230.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0420, w R ref ( F 2 ) = 0.1081, T = 298 K.
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Crystal structure of (E)-2,2′,3,3′-tetrahydro-[1,1′-biindenylidene]-4,4′-diol, C₁₈H₁₆O₂

December 9, 2024

Yuwei Hao, Zhilin Ren, Jingjing Bi, Haiyan Wang, Qiong Chen

Page range: 161-162

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C 18 H 16 O 2 , monoclinic, P 2 1 / c (no. 14), a = 5.6512(4) Å, b = 4.7795(3) Å, c = 22.9999(15) Å, β = 95.385(6) ∘ , V = 618.48(7) Å 3 , Z = 2, R gt ( F ) = 0.0545, w R ref ( F 2 ) = 0.1712, T = 293(2) K.
Open Access
Crystal structure of di-glycylglycinium squarate dihydrate, C₁₂H₂₂N₄O₁₂, at 105 K

November 27, 2024

Etelvina de Matos Gomes, Rosa M.F. Baptista, Carl Henrik Görbitz

Page range: 163-165

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C 12 H 22 N 4 O 12 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.7126(4) Å, b = 7.7536(5) Å, c = 8.5279(5) Å, α = 89.4803(14)°, β = 86.2595(14)°, γ = 79.4035(14)°, V = 435.35(5) Å 3 , Z = 2, R gt ( F ) = 0.0323, wR ref ( F 2 ) = 0.0908, T = 105(2) K.
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Crystal structure of {[(4-fluorophenyl)methyl]triphenylphosphonium}dibromocopper(I), [C₂₅H₂₁FP]⁺[CuBr₂]⁻

December 23, 2024

Chun-Yan Niu, Hui Jiang

Page range: 167-169

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C 25 H 21 Br 2 CuFP, monoclinic, P 2 1 / c (no. 14), a = 8.8442(2) Å, b = 16.8942(3) Å, c = 16.0626(3) Å, β = 98.332(2)°, V = 2374.67(8) Å 3 , Z = 4, R gt ( F ) = 0.0565, wR ref ( F 2 ) = 0.1609, T = 293(2).
Open Access
Crystal structure of poly[diaqua-bis(μ₂-5-((pyridin-4-yl-methyl)amino)benzene-1,3-dicarboxylato-κ ² N:O)cadmium(II)], C₂₈H₂₆CdN₄O₁₀

December 23, 2024

Lai-Jun Zhang, Wen-Fang Weng, Shuai Huang, Xiao-Qing Ye, Yuan-Yuan Deng, Jia-Yi Lang, Qing Yin, Jun-Jie Ding

Page range: 171-173

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C 28 H 26 CdN 4 O 10 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 5.7700(12) Å, b = 10.190(2) Å, c = 12.160(2) Å, α = 70.38(3)°, β = 84.72(3)°, γ = 81.63(3)°, V = 665.6(3) Å 3 , Z = 1, R gt ( F ) = 0.0272, wR ref ( F 2 ) = 0.0602, T = 293 K.

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